SCHEMBL6357590

SCHEMBL6357590

CCC(C(=O)O)C(Cc1cc(OCCc2ccc3c(n2)NCCC3)n[nH]1)c1ccc2c(c1)OCO2

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.75
ITGAV P06756 20/20 0.75
ITGB6 P18564 16/20 0.75
ITGB5 P18084 12/20 0.75
ITGA2B P08514 11/20 0.75
ITGB8 P26012 1/20 0.49
ITGB1 P05556 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2835442 0.86 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6264451 0.84 ITGB3 (0.83) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6357583 0.84 ITGB3 (0.72) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL2838713 0.77 ITGB3 (0.84) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL2836956 0.75 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL2838930 0.75 ITGB3 (0.78) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6280663 0.74 ITGB3 (0.62) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6267787 0.74 ITGB3 (0.83) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL7678539 0.72 ITGB3 (0.75) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6222815 0.72 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB5ITGA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592421-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2005-11-09 EP disclosed
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed